4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C22H15N5OS — CID 23940312

IUPAC4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1)c1ccccn1
InChIInChI=1S/C22H15N5OS/c1-2-9-20-16(6-1)12-21(28-20)19-15-29-22(26-18-8-5-10-23-13-18)27(19)25-14-17-7-3-4-11-24-17/h1-15H/b25-14?,26-22-
InChIKeyZANZEIVKAGDMEK-PJNVBFLLSA-N
MW397.46 g/mol
LogP4.87
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23940312) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23940312
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC Name4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1)c1ccccn1
InChIInChI=1S/C22H15N5OS/c1-2-9-20-16(6-1)12-21(28-20)19-15-29-22(26-18-8-5-10-23-13-18)27(19)25-14-17-7-3-4-11-24-17/h1-15H/b25-14?,26-22-
InChIKeyZANZEIVKAGDMEK-PJNVBFLLSA-N
XLogP4.87
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23940312) is 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is C(=Nn1c(-c2cc3ccccc3o2)cs/c1=N\c1cccnc1)c1ccccn1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is ZANZEIVKAGDMEK-PJNVBFLLSA-N. The full InChI is InChI=1S/C22H15N5OS/c1-2-9-20-16(6-1)12-21(28-20)19-15-29-22(26-18-8-5-10-23-13-18)27(19)25-14-17-7-3-4-11-24-17/h1-15H/b25-14?,26-22-.
What are the key properties of 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 397.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23940312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).